REMARK  Name = BDB052298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.811  -0.258  -0.764  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.589   0.105  -0.156  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -3.569   1.172   0.814  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.279   1.312   1.239  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1       -1.554   0.363   0.548  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1       -4.640   1.937   1.260  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -5.842   1.551   0.634  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -2.343  -0.382  -0.271  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1       -5.930   0.503  -0.334  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -0.154   0.108   0.629  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        0.672   0.839   1.494  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.043   0.564   1.555  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        2.609  -0.443   0.761  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        1.781  -1.160  -0.112  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        0.411  -0.892  -0.176  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1        4.089  -0.735   0.819  0.00  0.00    +0.116 C 
BRANCH  16  17
ATOM     17  N   LIG    1        4.777  -0.157  -0.330  0.00  0.00    -0.307 NA
ATOM     18  H   LIG    1        4.597   0.848  -0.375  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1        6.229  -0.400  -0.277  0.00  0.00    +0.153 C 
BRANCH  19  20
ATOM     20  C   LIG    1        7.028   0.379  -1.334  0.00  0.00    +0.355 C 
ATOM     21  F   LIG    1        6.627   0.053  -2.587  0.00  0.00    -0.208 F 
ATOM     22  F   LIG    1        6.814   1.712  -1.179  0.00  0.00    -0.208 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  26
ATOM     23  N   LIG    1       -6.054  -2.086  -1.726  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -6.053  -2.896  -2.334  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -6.623  -2.132  -0.892  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -4.918  -1.320  -1.775  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -4.066  -1.525  -2.627  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 6